(3S,5S)-3-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-5-methyl-oxolan-2-one

Systemtic Name: (3S,5S)-3-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-5-methyl-oxolan-2-one Openeye Name: (3S,5S)-3-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-5-methyl-tetrahydrofuran-2-one CAS Name: (3S,5S)-3-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-5-methyl-2-oxolanone IUPAC Name: (3S,5S)-3-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-5-methyloxolan-2-one Traditional Name: (3S,5S)-3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-5-methyl-tetrahydrofuran-2-one Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)O1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-11-9-17(18(23)27-11)28-19-20-13-10-12(22(24)25)7-8-14(13)21(19)15-5-3-4-6-16(15)26-2/h3-8,10-11,17H,9H2,1-2H3/t11-,17-/m0/s1